About (2R)-2-[[2-[[2-[[2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid
(2R)-2-[[2-[[2-[[2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid (PubChem CID 171100444) has the molecular formula C14H24N6O7
and a molecular weight of 388.38 g/mol. Its IUPAC name is (2R)-2-[[2-[[2-[[2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid.
Molecular Properties
| Compound Name | (2R)-2-[[2-[[2-[[2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid |
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| PubChem CID | 171100444 |
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| Molecular Formula | C14H24N6O7 |
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| Molecular Weight | 388.38 g/mol |
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| Exact Mass | 388.17 |
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| IUPAC Name | (2R)-2-[[2-[[2-[[2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid |
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| SMILES | CNCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](C)C(=O)O |
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| InChI | InChI=1S/C14H24N6O7/c1-8(14(26)27)20-13(25)7-19-12(24)6-18-11(23)5-17-10(22)4-16-9(21)3-15-2/h8,15H,3-7H2,1-2H3,(H,16,21)(H,17,22)(H,18,23)(H,19,24)(H,20,25)(H,26,27)/t8-/m1/s1 |
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| InChIKey | PRBQNWPEPLVVII-MRVPVSSYSA-N |
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| XLogP | -4.74 |
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| TPSA | 194.83 Ų |
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| H-Bond Donors | 7 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 27 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 388.38 |
| LogP ≤ 5 | -4.74 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze (2R)-2-[[2-[[2-[[2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid with MolForge
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Frequently Asked Questions
What is the IUPAC name of (2R)-2-[[2-[[2-[[2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-[[2-[[2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid (CID 171100444) is (2R)-2-[[2-[[2-[[2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-[[2-[[2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-[[2-[[2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid is CNCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[[2-[[2-[[2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid?
The InChIKey is PRBQNWPEPLVVII-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H24N6O7/c1-8(14(26)27)20-13(25)7-19-12(24)6-18-11(23)5-17-10(22)4-16-9(21)3-15-2/h8,15H,3-7H2,1-2H3,(H,16,21)(H,17,22)(H,18,23)(H,19,24)(H,20,25)(H,26,27)/t8-/m1/s1.
What are the key properties of (2R)-2-[[2-[[2-[[2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid?
(2R)-2-[[2-[[2-[[2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid has a molecular weight of 388.38 g/mol, XLogP of -4.74, 12 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[[2-[[2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid is sourced from PubChem (CID 171100444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).